(4E)-N-(4-chloranyl-2-methyl-phenyl)-7-methyl-6-oxidanylidene-4-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)octanamide chloride

Systemtic Name: (4E)-N-(4-chloranyl-2-methyl-phenyl)-7-methyl-6-oxidanylidene-4-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)octanamide chloride Openeye Name: (4E)-N-(4-chloro-2-methyl-phenyl)-7-methyl-6-oxo-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]octanamide chloride CAS Name: (4E)-N-(4-chloro-2-methylphenyl)-7-methyl-6-oxo-4-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]hydrazinylidene]octanamide chloride IUPAC Name: (4E)-N-(4-chloro-2-methylphenyl)-7-methyl-6-oxo-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]octanamide chloride Traditional Name: (4E)-N-(4-chloro-2-methyl-phenyl)-6-keto-7-methyl-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]caprylamide chloride Formula: C23H28Cl2N4O3 MolecularWeight: 479.39942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=NNC(=O)C[N+]2=CC=CC=C2)CC(=O)C(C)C.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)CC/C(=N\NC(=O)C[N+]2=CC=CC=C2)/CC(=O)C(C)C.[Cl-]

InChI

InChI=1S/C23H27ClN4O3.ClH/c1-16(2)21(29)14-19(26-27-23(31)15-28-11-5-4-6-12-28)8-10-22(30)25-20-9-7-18(24)13-17(20)3;/h4-7,9,11-13,16H,8,10,14-15H2,1-3H3,(H-,25,27,30,31);1H/b26-19+;